Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL21881386 | 0.98 | CYP19A1 (0.44) | CYP19A1NPC1EPHX2RAB9AIDO1 | |
| SCHEMBL21881383 | 0.86 | CYP2D6 (0.48) | CYP19A1ALDH1A1TSHRCHRM1CYP1A2 | |
| SCHEMBL21881192 | 0.84 | NPC1 (0.43) | NPC1TSHRCHRM1SLC6A3CYP1A2 | |
| SCHEMBL21881472 | 0.84 | CYP2D6 (0.49) | CYP19A1ALDH1A1TSHRCHRM1CYP1A2 | |
| SCHEMBL21881191 | 0.84 | CYP2D6 (0.49) | CYP19A1ALDH1A1TSHRCHRM1CYP1A2 | |
| SCHEMBL7813041 | 0.81 | CYP2D6 (0.49) | CYP19A1ALDH1A1CHRM1CYP1A2CYP2D6 | |
| SCHEMBL27137103 | 0.80 | SLC6A3 (0.41) | SLC6A3SLC6A4 | |
| SCHEMBL13086832 | 0.78 | CYP19A1 (0.46) | CYP19A1NPC1EPHX2RAB9AIDO1 | |
| SCHEMBL24327739 | 0.78 | NPC1 (0.40) | NPC1TSHRCHRM1SLC6A3CYP1A2 | |
| SCHEMBL23315458 | 0.71 | TSHR (0.48) | ALDH1A1EPHX1IDO1TSHRCYP2D6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3620454-B1 | CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST | SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) | 2021-05-05 | — | — | EP | disclosed |